3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide

C19H22N2O2S2 — CID 39754491

About 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide

3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide (PubChem CID 39754491) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide
• PubChem CID: 39754491
• Molecular Formula: C19H22N2O2S2
• Molecular Weight: 374.53 g/mol
• Exact Mass: 374.11
• IUPAC Name: 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide
• SMILES: CCCCCNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1
• InChI: InChI=1S/C19H22N2O2S2/c1-3-4-7-10-20-18(22)17-15(12-25-19-21-13(2)11-24-19)14-8-5-6-9-16(14)23-17/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3,(H,20,22)
• InChIKey: YUFYJLLNQYRHPV-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.53
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide?

The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide (CID 39754491) is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide is CCCCCNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1.

What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide?

The InChIKey is YUFYJLLNQYRHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S2/c1-3-4-7-10-20-18(22)17-15(12-25-19-21-13(2)11-24-19)14-8-5-6-9-16(14)23-17/h5-6,8-9,11H,3-4,7,10,12H2,1-2H3,(H,20,22).

What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide?

3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pentyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39754491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).